3-(3-methoxybutyl)-3-methylazetidine

C9H19NO — CID 165137098

IUPAC3-(3-methoxybutyl)-3-methylazetidine
SMILESCOC(C)CCC1(C)CNC1
InChIInChI=1S/C9H19NO/c1-8(11-3)4-5-9(2)6-10-7-9/h8,10H,4-7H2,1-3H3
InChIKeyIMNDJZSJKJASPE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About 3-(3-methoxybutyl)-3-methylazetidine

3-(3-methoxybutyl)-3-methylazetidine (PubChem CID 165137098) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(3-methoxybutyl)-3-methylazetidine.

Molecular Properties

Compound Name3-(3-methoxybutyl)-3-methylazetidine
PubChem CID165137098
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(3-methoxybutyl)-3-methylazetidine
SMILESCOC(C)CCC1(C)CNC1
InChIInChI=1S/C9H19NO/c1-8(11-3)4-5-9(2)6-10-7-9/h8,10H,4-7H2,1-3H3
InChIKeyIMNDJZSJKJASPE-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybutyl)-3-methylazetidine?
The IUPAC name of 3-(3-methoxybutyl)-3-methylazetidine (CID 165137098) is 3-(3-methoxybutyl)-3-methylazetidine.
What is the SMILES notation for 3-(3-methoxybutyl)-3-methylazetidine?
The canonical SMILES for 3-(3-methoxybutyl)-3-methylazetidine is COC(C)CCC1(C)CNC1.
What is the InChIKey of 3-(3-methoxybutyl)-3-methylazetidine?
The InChIKey is IMNDJZSJKJASPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(11-3)4-5-9(2)6-10-7-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(3-methoxybutyl)-3-methylazetidine?
3-(3-methoxybutyl)-3-methylazetidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybutyl)-3-methylazetidine is sourced from PubChem (CID 165137098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).